BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Inosine

Graphical representations:

Inosine image

Molecular Formula: C10 H12 N4 O5

Natural Isotopic Abundance Mass: 268.22608

Mono-Isotopic Molecular Masses:

  • C12N14: 268.0807695165
  • C13N14: 278.1143178945
  • C12N15: 272.0689090893
  • C13N15: 282.1024574673

InCHi String:

canonical SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

isotoopic SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
inosine

PubChem Substance (SID):   85164937   148876   3588
PubChem Compound (CID):   6021
KEGG: Compound ID   C00294
CAS Registry IDs:   12712-98-0   132953-54-9   28861-88-3   4181-51-5   58-63-9
PDB Chemical Component   NOS
Miscellaneous Databases and IDs:   CHEBI 17596   EINECS 200-390-4   NSC 20262

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.